SCHEMBL21587434

SCHEMBL21587434

Cc1cccc(C(C)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.56
▸ ADRB1 P08588 15/20 0.56
▸ MLNR O43193 1/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ SCN5A Q14524 1/20 0.56
▸ GHSR Q92847 1/20 0.56
▸ ADRB3 P13945 14/20 0.53
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21587437 0.89 ADRB2 (0.69) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL21023962 0.82 ADRB2 (0.82) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL21024234 0.76 ADRB2 (0.77) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL3982300 0.75 ADRB2 (0.67) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL17031690 0.75 ADRB2 (0.72) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL26262583 0.75 ADRB2 (0.66) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL15614733 0.73 ADRB2 (0.49) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL12039344 0.73 ADRB2 (0.75) ADRB2ADRB1MLNRNR1I2ABCB11
Acetic Acid SCHEMBL3978858 0.73 ADRB2 (0.70) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL17031688 0.73 ADRB2 (0.84) ADRB2ADRB1MLNRNR1I2ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578169-A1 PHARMACEUTICAL FORMULATIONS COMPRISING 4-{(1 R)-2-[(6-{2-[(2,6-DICHLOROBENZYL)OXY]ETHOXY}HEXYL)AMINO]-1-HYDROXYETHYL}-2-(HYDROXYMETHYL)PHENOL GLAXO GROUP LIMITED (GB) 2019-12-11 — — EP disclosed
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